2H-benzo[h]isoquinolin-9-one

C13H9NO — CID 14085626

IUPAC2H-benzo[h]isoquinolin-9-one
SMILESO=c1ccc2ccc3cc[nH]cc3c2c1
InChIInChI=1S/C13H9NO/c15-11-4-3-9-1-2-10-5-6-14-8-13(10)12(9)7-11/h1-8,14H
InChIKeyJWWZJSPGJCDKLN-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.68
Rot. Bonds

About 2H-benzo[h]isoquinolin-9-one

2H-benzo[h]isoquinolin-9-one (PubChem CID 14085626) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2H-benzo[h]isoquinolin-9-one.

Molecular Properties

Compound Name2H-benzo[h]isoquinolin-9-one
PubChem CID14085626
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2H-benzo[h]isoquinolin-9-one
SMILESO=c1ccc2ccc3cc[nH]cc3c2c1
InChIInChI=1S/C13H9NO/c15-11-4-3-9-1-2-10-5-6-14-8-13(10)12(9)7-11/h1-8,14H
InChIKeyJWWZJSPGJCDKLN-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-benzo[h]isoquinolin-9-one?
The IUPAC name of 2H-benzo[h]isoquinolin-9-one (CID 14085626) is 2H-benzo[h]isoquinolin-9-one.
What is the SMILES notation for 2H-benzo[h]isoquinolin-9-one?
The canonical SMILES for 2H-benzo[h]isoquinolin-9-one is O=c1ccc2ccc3cc[nH]cc3c2c1.
What is the InChIKey of 2H-benzo[h]isoquinolin-9-one?
The InChIKey is JWWZJSPGJCDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-11-4-3-9-1-2-10-5-6-14-8-13(10)12(9)7-11/h1-8,14H.
What are the key properties of 2H-benzo[h]isoquinolin-9-one?
2H-benzo[h]isoquinolin-9-one has a molecular weight of 195.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[h]isoquinolin-9-one is sourced from PubChem (CID 14085626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).